Sipatrigine
TL;DR: Sipatrigine (CAS 130800-90-7) is a chemical compound with molecular formula C15H16Cl3N5 and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
Also Known As: Sipatrigine, Sipatrigina, sipatriginum, Sipatrigine [INN:BAN], 2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
| Molecular Formula | C15H16Cl3N5 |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.04712 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 130800-90-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC=C(C(=N2)N)C3=C(C(=CC(=C3)Cl)Cl)Cl |
| InChIKey | PDOCBJADCWMDGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sipatrigine (CAS 130800-90-7), with molecular formula C15H16Cl3N5 and molecular weight 371.05 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine.
Chemical Property Profile of Sipatrigine
Property Insights of Sipatrigine
The XLogP value of 3.6 indicates that Sipatrigine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, Sipatrigine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sipatrigine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sipatrigine?
The CAS number of Sipatrigine is 130800-90-7.
What is the molecular formula of Sipatrigine?
The molecular formula of Sipatrigine is C15H16Cl3N5.
What is the molecular weight of Sipatrigine?
The molecular weight of Sipatrigine is 371.05 g/mol.
Where can I buy Sipatrigine?
You can request a quote for Sipatrigine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sipatrigine?
Yes, KEHONG BIO provides custom synthesis services for Sipatrigine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.